REMARK  Name = BDB020460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.363   0.052  -1.006  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1       -1.012  -0.114  -0.655  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.046   0.072  -1.593  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.390  -0.083  -1.210  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.746  -0.395   0.111  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.737  -0.548   1.070  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.753   0.396  -3.035  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.331   0.896  -3.212  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.391  -0.399   0.670  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.611  -0.026  -2.458  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  17
ATOM     11  N   LIG    1        4.491   1.744  -0.537  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        5.286   1.081   0.397  0.00  0.00    +0.236 C 
ATOM     13  O   LIG    1        6.489   1.322   0.529  0.00  0.00    -0.274 OA
ATOM     14  C   LIG    1        4.632   0.029   1.276  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        3.326  -0.360   0.802  0.00  0.00    -0.319 N 
ATOM     16  C   LIG    1        2.567   0.418  -0.023  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1        1.419  -0.312  -0.229  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1        1.463  -1.489   0.472  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1        2.629  -1.498   1.081  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        3.034   1.749  -0.432  0.00  0.00    +0.164 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.104  -2.656   2.001  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        2.692  -4.066   1.664  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        4.117  -3.638   1.473  0.00  0.00    +0.012 C 
ENDBRANCH  19  21
BRANCH  11  25
ATOM     24  C   LIG    1        5.115   4.146  -0.623  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        5.102   2.803  -1.337  0.00  0.00    +0.105 C 
ENDBRANCH  11  25
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1       -5.152  -0.546   0.423  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -6.090   0.456   0.287  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -7.280  -0.087   0.674  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -8.559   0.577   0.731  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.193  -1.384   1.021  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.892  -1.657   0.883  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -3.028  -0.865   2.514  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.552  -2.111   2.690  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.904   0.004   3.092  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 5